1-[5-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone

C23H27FN2O3 — CID 16676485

IUPAC1-[5-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21
InChIInChI=1S/C23H27FN2O3/c1-16(27)26-11-8-17-14-18(2-7-21(17)26)22(28)15-25-12-9-23(29,10-13-25)19-3-5-20(24)6-4-19/h2-7,14,22,28-29H,8-13,15H2,1H3
InChIKeyNGRQSZLYZPFODB-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.75
Rot. Bonds4

About 1-[5-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone

1-[5-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 16676485) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-[5-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID16676485
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name1-[5-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21
InChIInChI=1S/C23H27FN2O3/c1-16(27)26-11-8-17-14-18(2-7-21(17)26)22(28)15-25-12-9-23(29,10-13-25)19-3-5-20(24)6-4-19/h2-7,14,22,28-29H,8-13,15H2,1H3
InChIKeyNGRQSZLYZPFODB-UHFFFAOYSA-N
XLogP2.75
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone (CID 16676485) is 1-[5-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(C(O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21.
What is the InChIKey of 1-[5-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is NGRQSZLYZPFODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-16(27)26-11-8-17-14-18(2-7-21(17)26)22(28)15-25-12-9-23(29,10-13-25)19-3-5-20(24)6-4-19/h2-7,14,22,28-29H,8-13,15H2,1H3.
What are the key properties of 1-[5-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 398.48 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 16676485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).